Accelerating reaction modeling using dynamic flow experiments, part 2: development of a digital twin

Abstract

In this paper, we describe the development of a digital twin for a Michael addition continuous-flow process using data generated from dynamic flow experimentation. We commenced our investigation by creating...

Towards a Family of Digital Model/Shadow/Twin Workflows and Architectures

“…David et al (2023) discusses Cyber-Biophysical systems within the context of DTs. Other sources focus on greenhouses (Howard et al, 2021), agriculture (Tekinerdogan and Verdouw, 2020;Verdouw and Kruize, 2017), chemical reactions (Silber et al, 2023), or life sciences (El Saddik, 2018;Knibbe et al, 2022).…”

Kinetic Study and Model-Based Design Space Determination for a Drug Substance Flow Synthesis Using an Amination Reaction via Nucleophilic Aromatic Substitution

“…To maintain quality stability despite transient disturbances or equipment operational failures, scientific assurance is required. Multiple research efforts have focused on the development of methodologies for design space formulation, − with some studies investigating the identification of design space using computer-based analysis. − However, it remains crucial to integrate considerations of the state of control and potential disturbances to guarantee the reliability and effectiveness of such approaches. This highlights the importance of continuous research endeavors and the potential establishment of regulations to ensure the safe and effective utilization of model-based design space approaches in pharmaceutical manufacturing.…”

Dynamic experiments in flow accelerate reaction network definition in a complex hydrogenation using catalytic static mixers

“…[12][13][14][15] Dynamic experiments have been developed and demonstrated by various groups, but, thus far, used exclusively for homogeneous reactions. [16][17][18][19][20][21][22][23][24] Application of this technique to heterogeneously-catalyzed gas-liquid reactions, however, has not yet been investigated.…”